N-methyl-3-phenylpropanamide

C10H13NO — CID 3434746

IUPACN-methyl-3-phenylpropanamide
SMILESCNC(=O)CCc1ccccc1
InChIInChI=1S/C10H13NO/c1-11-10(12)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)
InChIKeyRWGJVMFILBWTGJ-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.37
Rot. Bonds3

About N-methyl-3-phenylpropanamide

N-methyl-3-phenylpropanamide (PubChem CID 3434746) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-methyl-3-phenylpropanamide.

Molecular Properties

Compound NameN-methyl-3-phenylpropanamide
PubChem CID3434746
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-methyl-3-phenylpropanamide
SMILESCNC(=O)CCc1ccccc1
InChIInChI=1S/C10H13NO/c1-11-10(12)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12)
InChIKeyRWGJVMFILBWTGJ-UHFFFAOYSA-N
XLogP1.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-phenylpropanamide?
The IUPAC name of N-methyl-3-phenylpropanamide (CID 3434746) is N-methyl-3-phenylpropanamide.
What is the SMILES notation for N-methyl-3-phenylpropanamide?
The canonical SMILES for N-methyl-3-phenylpropanamide is CNC(=O)CCc1ccccc1.
What is the InChIKey of N-methyl-3-phenylpropanamide?
The InChIKey is RWGJVMFILBWTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-11-10(12)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,11,12).
What are the key properties of N-methyl-3-phenylpropanamide?
N-methyl-3-phenylpropanamide has a molecular weight of 163.22 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-phenylpropanamide is sourced from PubChem (CID 3434746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).